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CHEBI:215976 - Asperochramide C

ChEBI IDCHEBI:215976
ChEBI NameAsperochramide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N3O5
Net Charge0
Average Mass397.431
Monoisotopic Mass397.16377
SMILESCC1(C)C=Cc2c(ccc3c2NC(=O)[C@@]3(O)C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)O1
InChIInChI=1S/C21H23N3O5/c1-20(2)8-7-11-15(29-20)6-5-12-16(11)23-19(27)21(12,28)10-13-18(26)24-9-3-4-14(24)17(25)22-13/h5-8,13-14,28H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,27)/t13-,14-,21+/m0/s1
InChIKeyFLUQNCQLNBDSSR-DGCWBMGLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - PubMed (29479805)
ChEBI Ontology
Outgoing Relation(s)
Asperochramide C (CHEBI:215976) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8aS)-3-[[(3R)-3-hydroxy-7,7-dimethyl-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione